A quick update on the above app, there’s now a wrapper, around the speck mol structure in their new release -
(It’s amazing to see how fast Streamlit happenings spreads )
I had no clue, that this wrapper was written just a day back, here’s my version of streamlit component which I already started to work on meanwhile and could finish today
Unfortunately it doesnot work. As far as my understanding goes (correct me if I’m wrong, honestly I’m not an expertise or work extensively in this field) -
Speck recieves a particular format of .xyz and atoms, which seems to be different from the .xyz file when we create using mdtraj trajectory case ( Specklit/script.py at main · avrabyt/Specklit (github.com)). For better understanding please do consider comparing the files
ATM I’m not aware of any workaround, I tried to load the same file in the main Speck app, which also shows error. Probably they are yet to implement this kinda of feature.
cc @napoles3d , since I know you have worked with spec before, are you aware of this issue ?